ethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine

C15H22F3N5 — CID 177140877

IUPACethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine
SMILESCC.CNCc1cnc(-c2nc(C(F)(F)F)cn2C(C)C)cn1
InChIInChI=1S/C13H16F3N5.C2H6/c1-8(2)21-7-11(13(14,15)16)20-12(21)10-6-18-9(4-17-3)5-19-10;1-2/h5-8,17H,4H2,1-3H3;1-2H3
InChIKeyWFHOGDYNNUTSLA-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.69
Rot. Bonds4

About ethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine

ethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine (PubChem CID 177140877) has the molecular formula C15H22F3N5 and a molecular weight of 329.37 g/mol. Its IUPAC name is ethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine
PubChem CID177140877
Molecular FormulaC15H22F3N5
Molecular Weight329.37 g/mol
Exact Mass329.18
IUPAC Nameethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine
SMILESCC.CNCc1cnc(-c2nc(C(F)(F)F)cn2C(C)C)cn1
InChIInChI=1S/C13H16F3N5.C2H6/c1-8(2)21-7-11(13(14,15)16)20-12(21)10-6-18-9(4-17-3)5-19-10;1-2/h5-8,17H,4H2,1-3H3;1-2H3
InChIKeyWFHOGDYNNUTSLA-UHFFFAOYSA-N
XLogP3.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-3-[6-[4-(trifluoromethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 134135736
6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117799027
2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(difluoromethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817146
2-N,4-N-bis(3,3-difluorocyclopentyl)-6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 117817325
2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[6-(trifluoromethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817364
2-N,4-N-bis(3,3-difluorocyclobutyl)-6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 117817555
3-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,5-a)pyrazine
CID 34176314
8-methyl-2-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,2-a)pyrazine
CID 45480427
3-(difluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
CID 165951141
N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide
CID 45276252
2-[[4-[(1-Ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine
CID 71932961
6-[2-(2,4-Dimethyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 21976075

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine?
The IUPAC name of ethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine (CID 177140877) is ethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine.
What is the SMILES notation for ethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine?
The canonical SMILES for ethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine is CC.CNCc1cnc(-c2nc(C(F)(F)F)cn2C(C)C)cn1.
What is the InChIKey of ethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine?
The InChIKey is WFHOGDYNNUTSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5.C2H6/c1-8(2)21-7-11(13(14,15)16)20-12(21)10-6-18-9(4-17-3)5-19-10;1-2/h5-8,17H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine?
ethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine has a molecular weight of 329.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine is sourced from PubChem (CID 177140877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).